Theoretical foundations of neural networks

Neural networks have often been motivated by superficial analogy with biological nervous systems. Recently, however, it has become widely recognised that the effective application of neural networks requires instead a deeper understanding of the theoretical foundations of these models. Insight into neural networks comes from a number of fields including statistical pattern recognition, computational learning theory, statistics, information geometry and statistical mechanics. As an illustration of the importance of understanding the theoretical basis for neural network models, we consider their application to the solution of multi-valued inverse problems. We show how a naive application of the standard least-squares approach can lead to very poor results, and how an appreciation of the underlying statistical goals of the modelling process allows the development of a more general and more powerful formalism which can tackle the problem of multi-modality.

Topographic mappings and feed-forward neural networks

This thesis is a study of the generation of topographic mappings - dimension reducing transformations of data that preserve some element of geometric structure - with feed-forward neural networks. As an alternative to established methods, a transformational variant of Sammon's method is proposed, where the projection is effected by a radial basis function neural network. This approach is related to the statistical field of multidimensional scaling, and from that the concept of a 'subjective metric' is defined, which permits the exploitation of additional prior knowledge concerning the data in the mapping process. This then enables the generation of more appropriate feature spaces for the purposes of enhanced visualisation or subsequent classification. A comparison with established methods for feature extraction is given for data taken from the 1992 Research Assessment Exercise for higher educational institutions in the United Kingdom. This is a difficult high-dimensional dataset, and illustrates well the benefit of the new topographic technique. A generalisation of the proposed model is considered for implementation of the classical multidimensional scaling (¸mds}) routine. This is related to Oja's principal subspace neural network, whose learning rule is shown to descend the error surface of the proposed ¸mds model. Some of the technical issues concerning the design and training of topographic neural networks are investigated. It is shown that neural network models can be less sensitive to entrapment in the sub-optimal global minima that badly affect the standard Sammon algorithm, and tend to exhibit good generalisation as a result of implicit weight decay in the training process. It is further argued that for ideal structure retention, the network transformation should be perfectly smooth for all inter-data directions in input space. Finally, there is a critique of optimisation techniques for topographic mappings, and a new training algorithm is proposed. A convergence proof is given, and the method is shown to produce lower-error mappings more rapidly than previous algorithms.

Finite-size effects in on-line learning of multilayer neural networks

We complement recent advances in thermodynamic limit analyses of mean on-line gradient descent learning dynamics in multi-layer networks by calculating fluctuations possessed by finite dimensional systems. Fluctuations from the mean dynamics are largest at the onset of specialisation as student hidden unit weight vectors begin to imitate specific teacher vectors, increasing with the degree of symmetry of the initial conditions. In light of this, we include a term to stimulate asymmetry in the learning process, which typically also leads to a significant decrease in training time.

Classification of oximetry signals using Bayesian neural networks to assist in the detection of obstructive sleep apnoea syndrome

In the present study, multilayer perceptron (MLP) neural networks were applied to help in the diagnosis of obstructive sleep apnoea syndrome (OSAS). Oxygen saturation (SaO2) recordings from nocturnal pulse oximetry were used for this purpose. We performed time and spectral analysis of these signals to extract 14 features related to OSAS. The performance of two different MLP classifiers was compared: maximum likelihood (ML) and Bayesian (BY) MLP networks. A total of 187 subjects suspected of suffering from OSAS took part in the study. Their SaO2 signals were divided into a training set with 74 recordings and a test set with 113 recordings. BY-MLP networks achieved the best performance on the test set with 85.58% accuracy (87.76% sensitivity and 82.39% specificity). These results were substantially better than those provided by ML-MLP networks, which were affected by overfitting and achieved an accuracy of 76.81% (86.42% sensitivity and 62.83% specificity). Our results suggest that the Bayesian framework is preferred to implement our MLP classifiers. The proposed BY-MLP networks could be used for early OSAS detection. They could contribute to overcome the difficulties of nocturnal polysomnography (PSG) and thus reduce the demand for these studies.

Bayesian methods for neural networks

Bayesian techniques have been developed over many years in a range of different fields, but have only recently been applied to the problem of learning in neural networks. As well as providing a consistent framework for statistical pattern recognition, the Bayesian approach offers a number of practical advantages including a potential solution to the problem of over-fitting. This chapter aims to provide an introductory overview of the application of Bayesian methods to neural networks. It assumes the reader is familiar with standard feed-forward network models and how to train them using conventional techniques.

Bayesian methods for neural networks

Bayesian techniques have been developed over many years in a range of different fields, but have only recently been applied to the problem of learning in neural networks. As well as providing a consistent framework for statistical pattern recognition, the Bayesian approach offers a number of practical advantages including a potential solution to the problem of over-fitting. This chapter aims to provide an introductory overview of the application of Bayesian methods to neural networks. It assumes the reader is familiar with standard feed-forward network models and how to train them using conventional techniques.

Learning with regularizers in multilayer neural networks

We study the effect of regularization in an on-line gradient-descent learning scenario for a general two-layer student network with an arbitrary number of hidden units. Training examples are randomly drawn input vectors labelled by a two-layer teacher network with an arbitrary number of hidden units which may be corrupted by Gaussian output noise. We examine the effect of weight decay regularization on the dynamical evolution of the order parameters and generalization error in various phases of the learning process, in both noiseless and noisy scenarios.

Estimating conditional volatility with neural networks

It is well known that one of the obstacles to effective forecasting of exchange rates is heteroscedasticity (non-stationary conditional variance). The autoregressive conditional heteroscedastic (ARCH) model and its variants have been used to estimate a time dependent variance for many financial time series. However, such models are essentially linear in form and we can ask whether a non-linear model for variance can improve results just as non-linear models (such as neural networks) for the mean have done. In this paper we consider two neural network models for variance estimation. Mixture Density Networks (Bishop 1994, Nix and Weigend 1994) combine a Multi-Layer Perceptron (MLP) and a mixture model to estimate the conditional data density. They are trained using a maximum likelihood approach. However, it is known that maximum likelihood estimates are biased and lead to a systematic under-estimate of variance. More recently, a Bayesian approach to parameter estimation has been developed (Bishop and Qazaz 1996) that shows promise in removing the maximum likelihood bias. However, up to now, this model has not been used for time series prediction. Here we compare these algorithms with two other models to provide benchmark results: a linear model (from the ARIMA family), and a conventional neural network trained with a sum-of-squares error function (which estimates the conditional mean of the time series with a constant variance noise model). This comparison is carried out on daily exchange rate data for five currencies.

Using Bayesian neural networks to classify segmented images

We present results that compare the performance of neural networks trained with two Bayesian methods, (i) the Evidence Framework of MacKay (1992) and (ii) a Markov Chain Monte Carlo method due to Neal (1996) on a task of classifying segmented outdoor images. We also investigate the use of the Automatic Relevance Determination method for input feature selection.

Globally optimal parameters for on-line learning in multilayer neural networks

We present a framework for calculating globally optimal parameters, within a given time frame, for on-line learning in multilayer neural networks. We demonstrate the capability of this method by computing optimal learning rates in typical learning scenarios. A similar treatment allows one to determine the relevance of related training algorithms based on modifications to the basic gradient descent rule as well as to compare different training methods.

Globally optimal on-line learning rules for multi-layer neural networks

We present a method for determining the globally optimal on-line learning rule for a soft committee machine under a statistical mechanics framework. This rule maximizes the total reduction in generalization error over the whole learning process. A simple example demonstrates that the locally optimal rule, which maximizes the rate of decrease in generalization error, may perform poorly in comparison.

Globally optimal learning rates in multilayer neural networks

A method for calculating the globally optimal learning rate in on-line gradient-descent training of multilayer neural networks is presented. The method is based on a variational approach which maximizes the decrease in generalization error over a given time frame. We demonstrate the method by computing optimal learning rates in typical learning scenarios. The method can also be employed when different learning rates are allowed for different parameter vectors as well as to determine the relevance of related training algorithms based on modifications to the basic gradient descent rule.

Computation with infinite neural networks

For neural networks with a wide class of weight priors, it can be shown that in the limit of an infinite number of hidden units, the prior over functions tends to a gaussian process. In this article, analytic forms are derived for the covariance function of the gaussian processes corresponding to networks with sigmoidal and gaussian hidden units. This allows predictions to be made efficiently using networks with an infinite number of hidden units and shows, somewhat paradoxically, that it may be easier to carry out Bayesian prediction with infinite networks rather than finite ones.

Combining spatially distributed predictions from neural networks

In this report we discuss the problem of combining spatially-distributed predictions from neural networks. An example of this problem is the prediction of a wind vector-field from remote-sensing data by combining bottom-up predictions (wind vector predictions on a pixel-by-pixel basis) with prior knowledge about wind-field configurations. This task can be achieved using the scaled-likelihood method, which has been used by Morgan and Bourlard (1995) and Smyth (1994), in the context of Hidden Markov modelling

Point-wise confidence interval estimation by neural networks: A comparative study based on automotive engine calibration.

In developing neural network techniques for real world applications it is still very rare to see estimates of confidence placed on the neural network predictions. This is a major deficiency, especially in safety-critical systems. In this paper we explore three distinct methods of producing point-wise confidence intervals using neural networks. We compare and contrast Bayesian, Gaussian Process and Predictive error bars evaluated on real data. The problem domain is concerned with the calibration of a real automotive engine management system for both air-fuel ratio determination and on-line ignition timing. This problem requires real-time control and is a good candidate for exploring the use of confidence predictions due to its safety-critical nature.